2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide

C6H11F2NO3S — CID 103515818

IUPAC2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)F
InChIInChI=1S/C6H11F2NO3S/c1-9(6(10)5(7)8)3-4-13(2,11)12/h5H,3-4H2,1-2H3
InChIKeyFENTXSHEXBSILE-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.25
Rot. Bonds4

About 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide

2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide (PubChem CID 103515818) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
PubChem CID103515818
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)F
InChIInChI=1S/C6H11F2NO3S/c1-9(6(10)5(7)8)3-4-13(2,11)12/h5H,3-4H2,1-2H3
InChIKeyFENTXSHEXBSILE-UHFFFAOYSA-N
XLogP-0.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-(2-sulfanylidenepropyl)acetamide
CID 21303219
N-[2-(Methylsulfonyl)ethyl]-N-(cyanomethyl)trifluoroacetamide
CID 21303223
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide
CID 25029677
2-(Diethylamino)-1,1-difluoro-2-oxoethanesulfonate
CID 59349861
(Diethylcarbamoyl)difluoro-methanesulfonyl fluoride
CID 85920640
1-(3-Fluoroazetidin-1-yl)-2-methylsulfonylethanone
CID 130669195
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 138562483
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone
CID 63262345
2,2,2-Trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 63776491
2,2,2-Trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66381932
N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78865471

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide (CID 103515818) is 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide is CN(CCS(C)(=O)=O)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is FENTXSHEXBSILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c1-9(6(10)5(7)8)3-4-13(2,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 215.22 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 103515818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).